%chk=000121923.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121923

0 1
 O    1.589800      -1.358600      0.5866000    
 O   0.7233000      0.7812000      0.8915000    
 O    5.289400      0.1330000     -0.3774000    
 O    4.640100      -2.595900      -1.038800    
 O   0.8367000      -3.984400      0.3181000    
 O    2.480900       3.126800       1.374700    
 O   -3.408700      -1.515800      0.2480000    
 O   -5.381600      -2.631100     -5.6100000E-02
 N    2.956200       1.889800     -0.5389000    
 C    2.969200      0.5773000      7.3299997E-02
 C    3.966300     -0.3336000     -0.6493000    
 C    3.846800      -1.784300     -0.1768000    
 C    2.386500      -2.242700     -0.2039000    
 C    1.561800     -2.9400000E-02  6.9100000E-02
 C    2.210400      -3.644700      0.3706000    
 C    2.712000       3.051800      0.1707000    
 C  -0.6049000      0.8162000      0.5654000    
 C   -1.347700     -0.3553000      0.5664000    
 C   -1.203800       2.026300      0.2347000    
 C    2.782400       4.276000     -0.7022000    
 C   -2.701400     -0.2969000      0.2306000    
 C   -3.335000      0.9000000     -0.1066000    
 C   -2.562100       2.068800     -9.9900000E-02
 C   -4.764000      0.8684000     -0.4466000    
 C   -5.411200     -0.3054000     -0.4218000    
 C   -5.474100       2.138500     -0.8137000    
 C   -4.757000      -1.576200     -6.7800000E-02
 H    3.293900      0.7092000       1.114600    
 H    3.831800     -0.2810000      -1.736800    
 H    4.260200      -1.868500      0.8363000    
 H    1.995800      -2.245300      -1.230600    
 H    1.168600     -4.7200002E-02 -0.9586000    
 H    2.528400      -3.693200       1.417300    
 H    2.765400      -4.392300     -0.2022000    
 H    3.078500       1.947900      -1.546200    
 H    5.434200      8.8299997E-02  0.5831000    
 H    4.716100      -3.475100     -0.6319000    
 H   0.3522000      -3.331100      0.8510000    
 H  -0.9075000      -1.307900      0.8398000    
 H  -0.6231000       2.944800      0.2330000    
 H    2.510500       5.160800     -0.1199000    
 H    3.799500       4.397900      -1.084700    
 H    2.085900       4.177700      -1.539700    
 H   -2.994200       3.033600     -0.3529000    
 H   -6.467200     -0.3657000     -0.6673000    
 H   -6.531500       1.964100      -1.042100    
 H   -5.023200       2.593600      -1.702000    
 H   -5.436800       2.857700      1.1500000E-02


%chk=000121923-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121923

0 1
O 1.374052 -1.189765 0.772084
O 0.583994 1.021601 0.622958
O 5.342304 -0.064282 0.008725
O 4.617120 -2.730557 -0.208991
O 0.580904 -3.931542 0.782367
O 5.154808 2.264480 -1.102581
O -3.246860 -1.285523 -1.301110
O -5.027462 -2.399738 -2.261503
N 2.921259 1.990457 -0.428418
C 2.933330 0.664898 0.242651
C 3.958347 -0.370268 -0.301458
C 3.725481 -1.739086 0.379955
C 2.284588 -2.236844 0.207004
C 1.515399 0.064270 0.057057
C 1.968749 -3.514990 0.983451
C 3.957795 2.699117 -0.992672
C -0.797066 0.869718 0.367439
C -1.353739 -0.202448 -0.354805
C -1.613110 1.906022 0.894460
C 3.602622 4.086880 -1.510014
C -2.749140 -0.209180 -0.567499
C -3.605157 0.814543 -0.060020
C -2.996195 1.869076 0.680532
C -5.039259 0.718527 -0.319202
C -5.520009 -0.351941 -1.050081
C -5.978889 1.779680 0.208677
C -4.678128 -1.412389 -1.590720
H 3.110985 0.793128 1.329848
H 3.806875 -0.481296 -1.400373
H 3.943335 -1.606295 1.462762
H 2.047964 -2.381935 -0.868655
H 1.296691 -0.086417 -1.027362
H 2.195002 -3.357183 2.059324
H 2.594628 -4.334097 0.598815
H 2.026955 2.479914 -0.321352
H 5.547942 0.829379 -0.436658
H 5.514831 -2.301844 -0.241604
H -0.006527 -3.196607 1.096148
H -0.762053 -1.038855 -0.732340
H -1.143190 2.712220 1.464172
H 4.196677 4.836602 -0.959526
H 3.894703 4.157210 -2.571253
H 2.532493 4.336212 -1.415026
H -3.620265 2.668880 1.090686
H -6.587029 -0.456567 -1.264806
H -7.021139 1.563601 -0.074954
H -5.716352 2.778995 -0.186676
H -5.930463 1.842340 1.312143


